⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2081256 | 1.00 | — | — | |
| SCHEMBL4556501 | 1.00 | — | — | |
| SCHEMBL4556846 | 1.00 | — | — | |
| SCHEMBL248268 | 0.97 | — | — | |
| SCHEMBL4556830 | 0.97 | — | — | |
| SCHEMBL409268 | 0.90 | — | — | |
| SCHEMBL4557090 | 0.90 | — | — | |
| SCHEMBL414445 | 0.83 | — | — | |
| SCHEMBL4557221 | 0.75 | CXCR4 (0.33) | — | |
| SCHEMBL36141 | 0.73 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 553 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9603829-B2 | HSP90 inhibitors with modified toxicity | THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) | 2017-03-28 | — | — | US | claimed |
| CN-104254521-B | Trans-2-decylenic acid derivative and the medicine that contains it | NIPPON ZOKI PHARMACEUTICAL CO.,LTD. (JP) | 2016-05-04 | — | — | CN | claimed |
| US-20160030451-A1 | SUBSTITUTED TETRACYCLINE COMPOUNDS FOR TREATMENT OF BACILLUS ANTHRACIS INFECTIONS | PARATEK PHARMACEUTICALS, INC. | 2016-02-04 | — | — | US | claimed |
| EP-2190291-B1 | HSP90 INHIBITORS WITH MODIFIED TOXICITY | UNIV COLORADO REGENTS (US) | 2015-10-14 | — | — | EP | claimed |
| CN-102690269-B | Trifluoro methyl substituted quinoline or quinoxaline compound and preparation method thereof, and pharmaceutical composition containing the compound and purpose thereof | SHANGHAI INST MATERIA MEDICA | 2015-01-07 | — | — | CN | claimed |
| CN-104230826-A | 2-fluoroquinazoline cyclic compounds, and preparation method and medicinal application thereof | UNIV FUDAN | 2014-12-24 | — | — | CN | claimed |
| CN-104211649-A | Preparation method of quinazoline-4(3H)-ketone and application | UNIV FUDAN | 2014-12-17 | — | — | CN | claimed |
| US-20140315845-A1 | HSP90 INHIBITORS WITH MODIFIED TOXICITY | THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE | 2014-10-23 | — | — | US | claimed |
| CN-103694238-A | NO donor type matrine derivative and preparation method and medical application thereof | HE LIQIN | 2014-04-02 | — | — | CN | claimed |
| US-8551964-B2 | Hsp90 inhibitors with modified toxicity | THE REGENTS OF THE UNIVERSITY OF COLORADO (US) | 2013-10-08 | — | — | US | claimed |
| WO-1992003132-A1 | INDOLE DERIVATIVES WHICH INHIBIT LEUKOTRIENE BIOSYNTHESIS | ABBOTT LABORATORIES (US) | 1992-03-05 | — | — | WO | claimed |
| CN-1051668-A | Contain the dyeing composition for keratinous fibres of oxidation colorant parent and 4-hydroxy indoxyl derivative colour former and use the staining that said composition is carried out | OREAL (FR) | 1991-05-29 | — | — | CN | claimed |
| CN-1051670-A | Contain the dyeing composition for keratinous fibres of oxidation dye parent and amino indole colour former, the colouring method that uses these compositionss and noval chemical compound | OREAL (FR) | 1991-05-29 | — | — | CN | claimed |
| US-5002585-A | HAIR DYES, USED WITH PHENYLENEDIAMINES, AMINOPHENOLS AND AMINOPYRIDINES | L'OREAL (FR) | 1991-03-26 | — | — | US | claimed |
| EP-0319644-A2 | Alkylated amide derivatives, their use and pharmaceutical compositions containing them | THE GREEN CROSS CORPORATION (JP) | 1989-06-14 | — | — | EP | claimed |
| CN-85105798-A | Octahydro- azoles is the preparation method of [4,5-g] quinoline also | — | 1987-01-28 | — | — | CN | claimed |
| EP-0076199-B1 | TRIAZOLOQUINAZOLONES AND THEIR SALTS, PROCESS AND INTERMEDIATES FOR PREPARING THEM, THEIR USE AS MEDICINES AND COMPOSITIONS CONTAINING THEM | ROUSSEL-UCLAF (FR) | 1986-12-30 | — | — | EP | claimed |
| EP-0063747-A1 | 2-Substituted or unsubstituted aminocarbonyloxyalkyl-1,4-dihydropyridines | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1982-11-03 | — | — | EP | claimed |
| US-4110328-A | Bis-carbamylguanidinoazaalkane antimicrobial compounds | COOPER LABORATORIES, INC. (US) | 1978-08-29 | — | — | US | claimed |
| US-3997534-A | PARASITICIDES, NEMATOCIDES | HOECHST AKTIENGESELLSCHAFT (DT) | 1976-12-14 | — | — | US | claimed |